1-(6-piperidin-1-ium-1-ylidene-9-thiophen-2-yl-xanthen-3-yl)piperidine chloride

Systemtic Name: 1-(6-piperidin-1-ium-1-ylidene-9-thiophen-2-yl-xanthen-3-yl)piperidine chloride Openeye Name: 1-[6-piperidin-1-ium-1-ylidene-9-(2-thienyl)xanthen-3-yl]piperidine chloride CAS Name: 1-[6-(1-piperidin-1-iumylidene)-9-thiophen-2-yl-3-xanthenyl]piperidine chloride IUPAC Name: 1-(6-piperidin-1-ium-1-ylidene-9-thiophen-2-ylxanthen-3-yl)piperidine chloride Traditional Name: 1-[6-piperidin-1-ium-1-ylidene-9-(2-thienyl)xanthen-3-yl]piperidine chloride Formula: C27H29ClN2OS MolecularWeight: 465.04996

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC3=C(C=C2)C(=C4C=CC(=[N+]5CCCCC5)C=C4O3)C6=CC=CS6.[Cl-]

Isomeric SMILES

C1CCN(CC1)C2=CC3=C(C=C2)C(=C4C=CC(=[N+]5CCCCC5)C=C4O3)C6=CC=CS6.[Cl-]

InChI

InChI=1S/C27H29N2OS.ClH/c1-3-13-28(14-4-1)20-9-11-22-24(18-20)30-25-19-21(29-15-5-2-6-16-29)10-12-23(25)27(22)26-8-7-17-31-26;/h7-12,17-19H,1-6,13-16H2;1H/q+1;/p-1